(1-methylpiperidin-3-yl) 4-ethoxybenzoate

C15H21NO3 — CID 2911832

IUPAC(1-methylpiperidin-3-yl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC2CCCN(C)C2)cc1
InChIInChI=1S/C15H21NO3/c1-3-18-13-8-6-12(7-9-13)15(17)19-14-5-4-10-16(2)11-14/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyDUWKOKTXJJKLMH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds4

About (1-methylpiperidin-3-yl) 4-ethoxybenzoate

(1-methylpiperidin-3-yl) 4-ethoxybenzoate (PubChem CID 2911832) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl) 4-ethoxybenzoate.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl) 4-ethoxybenzoate
PubChem CID2911832
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(1-methylpiperidin-3-yl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)OC2CCCN(C)C2)cc1
InChIInChI=1S/C15H21NO3/c1-3-18-13-8-6-12(7-9-13)15(17)19-14-5-4-10-16(2)11-14/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyDUWKOKTXJJKLMH-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl) 4-ethoxybenzoate?
The IUPAC name of (1-methylpiperidin-3-yl) 4-ethoxybenzoate (CID 2911832) is (1-methylpiperidin-3-yl) 4-ethoxybenzoate.
What is the SMILES notation for (1-methylpiperidin-3-yl) 4-ethoxybenzoate?
The canonical SMILES for (1-methylpiperidin-3-yl) 4-ethoxybenzoate is CCOc1ccc(C(=O)OC2CCCN(C)C2)cc1.
What is the InChIKey of (1-methylpiperidin-3-yl) 4-ethoxybenzoate?
The InChIKey is DUWKOKTXJJKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-13-8-6-12(7-9-13)15(17)19-14-5-4-10-16(2)11-14/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of (1-methylpiperidin-3-yl) 4-ethoxybenzoate?
(1-methylpiperidin-3-yl) 4-ethoxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl) 4-ethoxybenzoate is sourced from PubChem (CID 2911832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).